[BioPython] Automated ligand extraction from PDB

Tomek Jarzynka tomee at genesilico.pl
Fri Oct 20 00:52:33 UTC 2006


Hi,

I would like to create a script that would take a PDB file as input,
try and identify the ligand structures and delete them from the PDB
file. I figured this would be possible with Biopython by looking at
the atom id (whether it contains 'H_') and subclassing Select to
not allow those items to be written to a file.
Is there any more elegant way of doing this, perhaps another PDB parser
framework, or maybe someone has already done similar work?

Thanks in advance,
-- 
Tomasz K. Jarzynka  /  +48 601 706 601  /  tomee(a-t)genesilico(d-o-t)pl
Laboratory of Bioinformatics and Protein Engineering | www.genesilico.pl
International Institute of Molecular and Cell Biology | www.iimcb.gov.pl

"You can have either freedom of speech or quality of communication.
        -- Orson Scott Card"



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